2-(3-methoxypropoxy)butanamide

C8H17NO3 — CID 62899538

IUPAC2-(3-methoxypropoxy)butanamide
SMILESCCC(OCCCOC)C(N)=O
InChIInChI=1S/C8H17NO3/c1-3-7(8(9)10)12-6-4-5-11-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyFGGFGZFAPCXEQS-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.30
Rot. Bonds7

About 2-(3-methoxypropoxy)butanamide

2-(3-methoxypropoxy)butanamide (PubChem CID 62899538) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)butanamide.

Molecular Properties

Compound Name2-(3-methoxypropoxy)butanamide
PubChem CID62899538
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(3-methoxypropoxy)butanamide
SMILESCCC(OCCCOC)C(N)=O
InChIInChI=1S/C8H17NO3/c1-3-7(8(9)10)12-6-4-5-11-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyFGGFGZFAPCXEQS-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)butanamide
CID 62900293
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
2-(2-methoxyethoxy)butanehydrazide
CID 63575929
N'-hydroxy-2-[2-(3-methoxypropoxy)ethoxy]butanimidamide
CID 103177865
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
2-(2,2-difluoroethoxy)butanamide
CID 82006448
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-[(3-methoxypropylamino)methyl]butanamide
CID 71433398
2-[2-(3-methoxypropoxy)ethoxy]pentanehydrazide
CID 103175980
3-methoxypropyl 3-methylpentanoate
CID 87360755
4-methoxybutanamide
CID 22414177
N'-hydroxy-3-(3-methoxypropoxy)pentanimidamide
CID 114995164

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)butanamide?
The IUPAC name of 2-(3-methoxypropoxy)butanamide (CID 62899538) is 2-(3-methoxypropoxy)butanamide.
What is the SMILES notation for 2-(3-methoxypropoxy)butanamide?
The canonical SMILES for 2-(3-methoxypropoxy)butanamide is CCC(OCCCOC)C(N)=O.
What is the InChIKey of 2-(3-methoxypropoxy)butanamide?
The InChIKey is FGGFGZFAPCXEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-7(8(9)10)12-6-4-5-11-2/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-(3-methoxypropoxy)butanamide?
2-(3-methoxypropoxy)butanamide has a molecular weight of 175.23 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)butanamide is sourced from PubChem (CID 62899538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).